Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
3.2957 0.7957 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5749 -0.3380 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0756 -0.1363 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4859 0.0073 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0049 0.2095 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7087 -0.9151 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1786 -0.5951 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6773 0.5363 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7818 0.4083 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1035 1.2318 -0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6391 1.6264 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9249 -0.4206 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7667 -1.3270 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8427 0.7140 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6691 -1.0718 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8642 0.9470 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 -0.8442 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4671 0.3875 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1193 1.1150 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3511 -1.0593 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 -1.8881 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7864 -1.3505 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7554 0.6718 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 1.2954 0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers